N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide

C17H14F3NO2S2 — CID 126838682

IUPACN-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1cscc1C(F)(F)F
InChIInChI=1S/C17H14F3NO2S2/c18-17(19,20)11-7-24-6-10(11)15(23)21-16-13(14(22)8-4-5-8)9-2-1-3-12(9)25-16/h6-8H,1-5H2,(H,21,23)
InChIKeyKDOMXRCMHOBARC-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.16
Rot. Bonds4

About N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide

N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 126838682) has the molecular formula C17H14F3NO2S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID126838682
Molecular FormulaC17H14F3NO2S2
Molecular Weight385.43 g/mol
Exact Mass385.04
IUPAC NameN-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1cscc1C(F)(F)F
InChIInChI=1S/C17H14F3NO2S2/c18-17(19,20)11-7-24-6-10(11)15(23)21-16-13(14(22)8-4-5-8)9-2-1-3-12(9)25-16/h6-8H,1-5H2,(H,21,23)
InChIKeyKDOMXRCMHOBARC-UHFFFAOYSA-N
XLogP5.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 127991874
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
2-(1,3-thiazole-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 63023194
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132
2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2063873
methyl 2-[(2-bromofuran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 106852854
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 71935001
2-[[4-(trifluoromethyl)thiophene-3-carbonyl]amino]propanedioic acid
CID 69475877
N-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7474999
2-[(2-chlorobenzoyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 35043981

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide (CID 126838682) is N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide is O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1cscc1C(F)(F)F.
What is the InChIKey of N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is KDOMXRCMHOBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2S2/c18-17(19,20)11-7-24-6-10(11)15(23)21-16-13(14(22)8-4-5-8)9-2-1-3-12(9)25-16/h6-8H,1-5H2,(H,21,23).
What are the key properties of N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide?
N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 126838682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).